| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 24 | Yes |
Popular Name: 7-[[[(1R)-1-isoxazol-3-ylethyl]-methyl-amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one 7-[[[(1R)-1-isoxazol-3-ylethyl]-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.44 | 5.37 | -46.25 | 2 | 7 | 1 | 82 | 328.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 3.12 | -16.6 | 1 | 7 | 0 | 81 | 327.34 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5H-[1,3]dioxolo[4,5-g]quinolin-6-one](http://zinc12.docking.org/img/rings/23332.gif)
![7-[(isoxazol-3-ylmethylamino)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one](http://zinc12.docking.org/img/rings/594369.gif)